| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: T3P_E_5(1CY6) / Model_3(1CY6/A) = [3.3]
| Download | 867.95 | 1.14 | MALLIVESPAKARTISKYLSKEFKVAASFGHVRDLPVKNGSVDPDNDFAIKYEIIEKAEKYVKELVKEASQTSDIYLATDPDREGEAIAWNVIEALKERKAINDKSNIYRVVFNEITKRAVQEAVKNPREINMDLVRAQQARRALDYLVGFSLSPLLWTKLSGSKSAGRVQSVALKLICEREDEISKFVSQEYWSIRAEIKDSKGETFFAMLSHYDNKKLEKFDIKNEEEAKGLVKQIESRQYAVSTVERKQVKRNPLPPFITSSLQQDAVNKLYFNVKNVMRIAQDLYEGIDIGGETVGLITYMRTDGFYIADEAVNSIRRSIKSLYGNKYLPKSSRQYVKKVKNAQEAHEAIRPTDIDRTPDSIKDYLTPEQFKLYGLIWKRTIASQMESAILDQVVVEISSTDQKVILRASGSIIFFDGFYKVYKNNVDGEDESMIPTMKEGEECKLISVDPEQHFTQPPSRYSEASIVKKMEEIGIGRPSTYAAIISVLQDREYVTLDNKRFIPSSRGKIVTIFLETFFQRCVEYDFTAQMEEKLDLISNGRADWKKELGYFWVPFFNHVNSVKQMTHDEIFNGIRDLVVDWFCSEEGKKEVNKKCPDCPDGILKLNFGKAGVFLGCSNYPTCTHTKEITGSNDNSEYPKSLGIDGVTEQEVVIKKGPFGLYLEFNSESEKKKTVSIPKDINVNDIDLSTATRLLSLPKVIGEHPETGKEVKIGLGRFGYYIFYDSKYFSLKKSFKEVLEIQLDEAVQIIANSPRKELKSLGFNEKGKEVFICNGRYGFYIKCGKTNVALGKNADIESVDLRRALELIKSKK |
| Complex: TMP_C_3(1CY2) / Model_2(1CY2/A) = [3.3]
| Download | 1034.66 | 0.09 | MALLIVESPAKARTISKYLSKEFKVAASFGHVRDLPVKNGSVDPDNDFAIKYEIIEKAEKYVKELVKEASQTSDIYLATDPDREGEAIAWNVIEALKERKAINDKSNIYRVVFNEITKRAVQEAVKNPREINMDLVRAQQARRALDYLVGFSLSPLLWTKLSGSKSAGRVQSVALKLICEREDEISKFVSQEYWSIRAEIKDSKGETFFAMLSHYDNKKLEKFDIKNEEEAKGLVKQIESRQYAVSTVERKQVKRNPLPPFITSSLQQDAVNKLYFNVKNVMRIAQDLYEGIDIGGETVGLITYMRTDGFYIADEAVNSIRRSIKSLYGNKYLPKSSRQYVKKVKNAQEAHEAIRPTDIDRTPDSIKDYLTPEQFKLYGLIWKRTIASQMESAILDQVVVEISSTDQKVILRASGSIIFFDGFYKVYKNNVDGEDESMIPTMKEGEECKLISVDPEQHFTQPPSRYSEASIVKKMEEIGIGRPSTYAAIISVLQDREYVTLDNKRFIPSSRGKIVTIFLETFFQRCVEYDFTAQMEEKLDLISNGRADWKKELGYFWVPFFNHVNSVKQMTHDEIFNGIRDLVVDWFCSEEGKKEVNKKCPDCPDGILKLNFGKAGVFLGCSNYPTCTHTKEITGSNDNSEYPKSLGIDGVTEQEVVIKKGPFGLYLEFNSESEKKKTVSIPKDINVNDIDLSTATRLLSLPKVIGEHPETGKEVKIGLGRFGYYIFYDSKYFSLKKSFKEVLEIQLDEAVQIIANSPRKELKSLGFNEKGKEVFICNGRYGFYIKCGKTNVALGKNADIESVDLRRALELIKSKK |
| Complex: T3P_C_3(1CY8) / Model_4(1CY8/A) = [3.8]
| Download | 1012.79 | -0.91 | MALLIVESPAKARTISKYLSKEFKVAASFGHVRDLPVKNGSVDPDNDFAIKYEIIEKAEKYVKELVKEASQTSDIYLATDPDREGEAIAWNVIEALKERKAINDKSNIYRVVFNEITKRAVQEAVKNPREINMDLVRAQQARRALDYLVGFSLSPLLWTKLSGSKSAGRVQSVALKLICEREDEISKFVSQEYWSIRAEIKDSKGETFFAMLSHYDNKKLEKFDIKNEEEAKGLVKQIESRQYAVSTVERKQVKRNPLPPFITSSLQQDAVNKLYFNVKNVMRIAQDLYEGIDIGGETVGLITYMRTDGFYIADEAVNSIRRSIKSLYGNKYLPKSSRQYVKKVKNAQEAHEAIRPTDIDRTPDSIKDYLTPEQFKLYGLIWKRTIASQMESAILDQVVVEISSTDQKVILRASGSIIFFDGFYKVYKNNVDGEDESMIPTMKEGEECKLISVDPEQHFTQPPSRYSEASIVKKMEEIGIGRPSTYAAIISVLQDREYVTLDNKRFIPSSRGKIVTIFLETFFQRCVEYDFTAQMEEKLDLISNGRADWKKELGYFWVPFFNHVNSVKQMTHDEIFNGIRDLVVDWFCSEEGKKEVNKKCPDCPDGILKLNFGKAGVFLGCSNYPTCTHTKEITGSNDNSEYPKSLGIDGVTEQEVVIKKGPFGLYLEFNSESEKKKTVSIPKDINVNDIDLSTATRLLSLPKVIGEHPETGKEVKIGLGRFGYYIFYDSKYFSLKKSFKEVLEIQLDEAVQIIANSPRKELKSLGFNEKGKEVFICNGRYGFYIKCGKTNVALGKNADIESVDLRRALELIKSKK |
| Complex: TMP_E_5(1CY4) / Model_6(1CY4/A) = [3.9]
| Download | 969.69 | 0.76 | MALLIVESPAKARTISKYLSKEFKVAASFGHVRDLPVKNGSVDPDNDFAIKYEIIEKAEKYVKELVKEASQTSDIYLATDPDREGEAIAWNVIEALKERKAINDKSNIYRVVFNEITKRAVQEAVKNPREINMDLVRAQQARRALDYLVGFSLSPLLWTKLSGSKSAGRVQSVALKLICEREDEISKFVSQEYWSIRAEIKDSKGETFFAMLSHYDNKKLEKFDIKNEEEAKGLVKQIESRQYAVSTVERKQVKRNPLPPFITSSLQQDAVNKLYFNVKNVMRIAQDLYEGIDIGGETVGLITYMRTDGFYIADEAVNSIRRSIKSLYGNKYLPKSSRQYVKKVKNAQEAHEAIRPTDIDRTPDSIKDYLTPEQFKLYGLIWKRTIASQMESAILDQVVVEISSTDQKVILRASGSIIFFDGFYKVYKNNVDGEDESMIPTMKEGEECKLISVDPEQHFTQPPSRYSEASIVKKMEEIGIGRPSTYAAIISVLQDREYVTLDNKRFIPSSRGKIVTIFLETFFQRCVEYDFTAQMEEKLDLISNGRADWKKELGYFWVPFFNHVNSVKQMTHDEIFNGIRDLVVDWFCSEEGKKEVNKKCPDCPDGILKLNFGKAGVFLGCSNYPTCTHTKEITGSNDNSEYPKSLGIDGVTEQEVVIKKGPFGLYLEFNSESEKKKTVSIPKDINVNDIDLSTATRLLSLPKVIGEHPETGKEVKIGLGRFGYYIFYDSKYFSLKKSFKEVLEIQLDEAVQIIANSPRKELKSLGFNEKGKEVFICNGRYGFYIKCGKTNVALGKNADIESVDLRRALELIKSKK |
| Complex: NACID_Y_1(1MW8) / Model_9(1MW8/X) = [9.2]
| Download | - | - | MALLIVESPAKARTISKYLSKEFKVAASFGHVRDLPVKNGSVDPDNDFAIKYEIIEKAEKYVKELVKEASQTSDIYLATDPDREGEAIAWNVIEALKERKAINDKSNIYRVVFNEITKRAVQEAVKNPREINMDLVRAQQARRALDYLVGFSLSPLLWTKLSGSKSAGRVQSVALKLICEREDEISKFVSQEYWSIRAEIKDSKGETFFAMLSHYDNKKLEKFDIKNEEEAKGLVKQIESRQYAVSTVERKQVKRNPLPPFITSSLQQDAVNKLYFNVKNVMRIAQDLYEGIDIGGETVGLITYMRTDGFYIADEAVNSIRRSIKSLYGNKYLPKSSRQYVKKVKNAQEAHEAIRPTDIDRTPDSIKDYLTPEQFKLYGLIWKRTIASQMESAILDQVVVEISSTDQKVILRASGSIIFFDGFYKVYKNNVDGEDESMIPTMKEGEECKLISVDPEQHFTQPPSRYSEASIVKKMEEIGIGRPSTYAAIISVLQDREYVTLDNKRFIPSSRGKIVTIFLETFFQRCVEYDFTAQMEEKLDLISNGRADWKKELGYFWVPFFNHVNSVKQMTHDEIFNGIRDLVVDWFCSEEGKKEVNKKCPDCPDGILKLNFGKAGVFLGCSNYPTCTHTKEITGSNDNSEYPKSLGIDGVTEQEVVIKKGPFGLYLEFNSESEKKKTVSIPKDINVNDIDLSTATRLLSLPKVIGEHPETGKEVKIGLGRFGYYIFYDSKYFSLKKSFKEVLEIQLDEAVQIIANSPRKELKSLGFNEKGKEVFICNGRYGFYIKCGKTNVALGKNADIESVDLRRALELIKSKK |
Consensus
[pKd Mean = 4.70] | - | 971
(s=64) | 0
(s=0) | MALLIVESPAKARTISKYLSKEFKVAASFGHVRDLPVKNGSVDPDNDFAIKYEIIEKAEKYVKELVKEASQTSDIYLATDPDREGEAIAWNVIEALKERKAINDKSNIYRVVFNEITKRAVQEAVKNPREINMDLVRAQQARRALDYLVGFSLSPLLWTKLSGSKSAGRVQSVALKLICEREDEISKFVSQEYWSIRAEIKDSKGETFFAMLSHYDNKKLEKFDIKNEEEAKGLVKQIESRQYAVSTVERKQVKRNPLPPFITSSLQQDAVNKLYFNVKNVMRIAQDLYEGIDIGGETVGLITYMRTDGFYIADEAVNSIRRSIKSLYGNKYLPKSSRQYVKKVKNAQEAHEAIRPTDIDRTPDSIKDYLTPEQFKLYGLIWKRTIASQMESAILDQVVVEISSTDQKVILRASGSIIFFDGFYKVYKNNVDGEDESMIPTMKEGEECKLISVDPEQHFTQPPSRYSEASIVKKMEEIGIGRPSTYAAIISVLQDREYVTLDNKRFIPSSRGKIVTIFLETFFQRCVEYDFTAQMEEKLDLISNGRADWKKELGYFWVPFFNHVNSVKQMTHDEIFNGIRDLVVDWFCSEEGKKEVNKKCPDCPDGILKLNFGKAGVFLGCSNYPTCTHTKEITGSNDNSEYPKSLGIDGVTEQEVVIKKGPFGLYLEFNSESEKKKTVSIPKDINVNDIDLSTATRLLSLPKVIGEHPETGKEVKIGLGRFGYYIFYDSKYFSLKKSFKEVLEIQLDEAVQIIANSPRKELKSLGFNEKGKEVFICNGRYGFYIKCGKTNVALGKNADIESVDLRRALELIKSKK |